1-[1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxidanyl-butan-1-one

Systemtic Name: 1-[1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxidanyl-butan-1-one Openeye Name: 4-hydroxy-1-[5-(4-methylsulfonylphenyl)-1-(p-tolyl)pyrazol-3-yl]butan-1-one CAS Name: 4-hydroxy-1-[1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]-1-butanone IUPAC Name: 4-hydroxy-1-[1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]butan-1-one Traditional Name: 4-hydroxy-1-[5-(4-mesylphenyl)-1-(p-tolyl)pyrazol-3-yl]butan-1-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)CCCO)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)CCCO)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H22N2O4S/c1-15-5-9-17(10-6-15)23-20(14-19(22-23)21(25)4-3-13-24)16-7-11-18(12-8-16)28(2,26)27/h5-12,14,24H,3-4,13H2,1-2H3